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Literature summary extracted from

  • Suresh, A.; Srinivasarao, S.; Khetmalis, Y.M.; Nizalapur, S.; Sankaranarayanan, M.; Gowri Chandra Sekhar, K.V.
    Inhibitors of pantothenate synthetase of Mycobacterium tuberculosis - a medicinal chemist perspective (2020), RSC Adv., 10, 37098-37115.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
6.3.2.1 1-benzoyl-N-(4-bromophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
-
 Mycobacterium tuberculosis
6.3.2.1 1-benzoyl-N-(4-nitrophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
-
 Mycobacterium tuberculosis
6.3.2.1 2-methyl-N'-(4-phenoxybenzoyl)imidazo[2,1-b][1,3]benzothiazole-3-carbohydrazide
-
 Mycobacterium tuberculosis
6.3.2.1 2-[(1-benzoyl-1H-benzimidazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide minimum inhibitory concentration: 0.0125 mg/ml Mycobacterium tuberculosis
6.3.2.1 2-[(E)-2-(4-chlorophenyl)ethenyl]-8-fluoro-6-oxo-9-(piperazin-1-yl)-6H-imidazo[4,5,1-ij]quinoline-5-carboxylic acid minimum inhibitory concentration: 0.02862 mM Mycobacterium tuberculosis
6.3.2.1 3-([1,1'-biphenyl]-4-yl)-4-cyano-1,5-dimethyl-1H-pyrrole-2-carboxylic acid
-
 Mycobacterium tuberculosis
6.3.2.1 4-(2-[3-[(1E,3E)-hexa-1,3,5-trien-1-yl]phenyl]hydrazinyl)-4-oxobutanoic acid
-
 Mycobacterium tuberculosis
6.3.2.1 4-cyano-3-(4'-cyano[1,1'-biphenyl]-4-yl)-1,5-dimethyl-1H-pyrrole-2-carboxylic acid
-
 Mycobacterium tuberculosis
6.3.2.1 5'-O-(valylsulfamoyl)adenosine
-
 Mycobacterium tuberculosis
6.3.2.1 5'-O-[(2-hydroxy-3,3-dimethylbutanoyl)sulfamoyl]adenosine
-
 Mycobacterium tuberculosis
6.3.2.1 5'-O-[(3-methylvalyl)sulfamoyl]adenosine
-
 Mycobacterium tuberculosis
6.3.2.1 5'-O-[[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl]adenosine
-
 Mycobacterium tuberculosis
6.3.2.1 5'-O-[[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]oxy](hydroxy)phosphoryl]adenosine
-
 Mycobacterium tuberculosis
6.3.2.1 5-tert-butyl-N-[1-[(naphthalen-2-yl)methyl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
-
 Mycobacterium tuberculosis
6.3.2.1 6-acetyl-2-[(thiophene-2-carbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide minimum inhibitory concentration:0.0032 mg/ml Mycobacterium tuberculosis
6.3.2.1 6-chloro-7-([1-[6-(4-[[(4,6-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]-1H-1,2,3-triazol-1-yl)hexyl]-1H-1,2,3-triazol-4-yl]methoxy)-4-methyl-2H-1-benzopyran-2-one minimum inhibitory concentration: 0.00156 mg/ml Mycobacterium tuberculosis
6.3.2.1 6-chloro-7-([1-[8-(4-[[(4,6-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]-1H-1,2,3-triazol-1-yl)octyl]-1H-1,2,3-triazol-4-yl]methoxy)-4-methyl-2H-1-benzopyran-2-one minimum inhibitory concentration: 0.00156 mg/ml Mycobacterium tuberculosis
6.3.2.1 6-methoxy-2-[[(5-methoxy-1-benzofuran-2-carbonyl)amino]methyl]-1H-indole-1-carboxylic acid
-
 Mycobacterium tuberculosis
6.3.2.1 7-[[1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl]methoxy]-2-(1H-indol-3-yl)-6-methoxyquinazolin-4(3H)-one minimum inhibitory concentration: 0.007 mg/ml Mycobacterium tuberculosis
6.3.2.1 actinomycin D
-
 Mycobacterium tuberculosis
6.3.2.1 hydroxy[4-[(1-[[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methyl]-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl)amino]phenyl]oxoammonium
-
 Mycobacterium tuberculosis
6.3.2.1 methyl 6-amino-4-(benzyloxy)-1H-indole-2-carboxylate
-
 Mycobacterium tuberculosis
6.3.2.1 N'-(3-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanoyl)pyridine-4-carbohydrazide minimum inhibitory concentration: 0.00035 mM Mycobacterium tuberculosis
6.3.2.1 N'-(3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoyl)pyridine-3-carbohydrazide
-
 Mycobacterium tuberculosis
6.3.2.1 N'-[(E)-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene]pyrazine-2-carbohydrazide minimum inhibitory concentration: 0.00078 mg/ml Mycobacterium tuberculosis
6.3.2.1 N'-[(E)-[3-(4-chlorophenyl)-1-(4-nitrophenyl)-1H-pyrazol-4-yl]methylidene]pyrazine-2-carbohydrazide minimum inhibitory concentration: 0.00156 mg/ml Mycobacterium tuberculosis
6.3.2.1 N'-[(E)-[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene]pyrazine-2-carbohydrazide minimum inhibitory concentration: 0.00156 mg/ml Mycobacterium tuberculosis
6.3.2.1 N'-[hydroxy(naphthalen-1-yl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
-
 Mycobacterium tuberculosis
6.3.2.1 N-[2-(4-fluorobenzamido)benzoyl]tryptophan
-
 Mycobacterium tuberculosis
6.3.2.1 N-[2-(4-methylbenzamido)benzoyl]tryptophan
-
 Mycobacterium tuberculosis
6.3.2.1 N1-[(furan-2-yl)methyl]-N2-([3-[(3-[[(furan-3-yl)methyl]amino]-2,3-dioxopropyl)amino]phenyl]methyl)ethanediamide
-
 Mycobacterium tuberculosis
6.3.2.1 nafronyl oxalate
-
 Mycobacterium tuberculosis
6.3.2.1 [2-[(1-benzofuran-2-sulfonyl)carbamoyl]-5-methoxy-1H-inden-1-yl]acetic acid
-
 Mycobacterium tuberculosis
6.3.2.1 [2-[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1H-benzimidazol-6-yl](phenyl)methanone
-
 Mycobacterium tuberculosis
6.3.2.1 [5-[(3-carbamoyl-6-[4-[hydroxy(oxo)azaniumyl]benzene-1-sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl]thiophen-2-yl](hydroxy)oxoammonium
-
 Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
6.3.2.1 ATP + (R)-pantoate + beta-alanine Mycobacterium tuberculosis
-
 AMP + diphosphate + (R)-pantothenate
-
 ?
6.3.2.1 ATP + (R)-pantoate + beta-alanine Mycobacterium tuberculosis H37Rv
-
 AMP + diphosphate + (R)-pantothenate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
6.3.2.1 Mycobacterium tuberculosis P9WIL5
-
-
6.3.2.1 Mycobacterium tuberculosis H37Rv P9WIL5
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
6.3.2.1 ATP + (R)-pantoate + beta-alanine
-
 Mycobacterium tuberculosis AMP + diphosphate + (R)-pantothenate
-
 ?
6.3.2.1 ATP + (R)-pantoate + beta-alanine
-
 Mycobacterium tuberculosis H37Rv AMP + diphosphate + (R)-pantothenate
-
 ?

Subunits

EC Number Subunits Comment Organism
6.3.2.1 homodimer
-
 Mycobacterium tuberculosis

Synonyms

EC Number Synonyms Comment Organism
6.3.2.1 PanC
-
 Mycobacterium tuberculosis
6.3.2.1 Pantothenate synthetase
-
 Mycobacterium tuberculosis

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
6.3.2.1 0.00022
-
 5'-O-[[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]oxy](hydroxy)phosphoryl]adenosine pH and temperature not specified in the publication Mycobacterium tuberculosis
6.3.2.1 0.0003
-
 5'-O-[(2-hydroxy-3,3-dimethylbutanoyl)sulfamoyl]adenosine pH and temperature not specified in the publication Mycobacterium tuberculosis
6.3.2.1 0.004
-
 5'-O-[(3-methylvalyl)sulfamoyl]adenosine pH and temperature not specified in the publication Mycobacterium tuberculosis
6.3.2.1 0.0054
-
 6-methoxy-2-[[(5-methoxy-1-benzofuran-2-carbonyl)amino]methyl]-1H-indole-1-carboxylic acid pH and temperature not specified in the publication Mycobacterium tuberculosis
6.3.2.1 0.009
-
 [2-[(1-benzofuran-2-sulfonyl)carbamoyl]-5-methoxy-1H-inden-1-yl]acetic acid pH and temperature not specified in the publication Mycobacterium tuberculosis
6.3.2.1 0.012
-
 nafronyl oxalate pH and temperature not specified in the publication Mycobacterium tuberculosis
6.3.2.1 0.018
-
 5'-O-(valylsulfamoyl)adenosine pH and temperature not specified in the publication Mycobacterium tuberculosis
6.3.2.1 0.1741
-
 3-([1,1'-biphenyl]-4-yl)-4-cyano-1,5-dimethyl-1H-pyrrole-2-carboxylic acid pH and temperature not specified in the publication Mycobacterium tuberculosis
6.3.2.1 0.251
-
 actinomycin D pH and temperature not specified in the publication Mycobacterium tuberculosis
6.3.2.1 0.2971
-
 4-cyano-3-(4'-cyano[1,1'-biphenyl]-4-yl)-1,5-dimethyl-1H-pyrrole-2-carboxylic acid pH and temperature not specified in the publication Mycobacterium tuberculosis
6.3.2.1 27
-
 5'-O-[[(2R)-2-hydroxy-3,3-dimethylbutanoyl]sulfamoyl]adenosine pH and temperature not specified in the publication Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
6.3.2.1 0.00009
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 5-tert-butyl-N-[1-[(naphthalen-2-yl)methyl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
6.3.2.1 0.00053
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 2-methyl-N'-(4-phenoxybenzoyl)imidazo[2,1-b][1,3]benzothiazole-3-carbohydrazide
6.3.2.1 0.00101
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis hydroxy[4-[(1-[[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methyl]-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl)amino]phenyl]oxoammonium
6.3.2.1 0.00112
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis N'-(3-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoyl)pyridine-3-carbohydrazide
6.3.2.1 0.0019
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis N'-[hydroxy(naphthalen-1-yl)methyl]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
6.3.2.1 0.00218
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis N1-[(furan-2-yl)methyl]-N2-([3-[(3-[[(furan-3-yl)methyl]amino]-2,3-dioxopropyl)amino]phenyl]methyl)ethanediamide
6.3.2.1 0.00228
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis N-[2-(4-fluorobenzamido)benzoyl]tryptophan
6.3.2.1 0.00587
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis [5-[(3-carbamoyl-6-[4-[hydroxy(oxo)azaniumyl]benzene-1-sulfonyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl]thiophen-2-yl](hydroxy)oxoammonium
6.3.2.1 0.00663
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis N-[2-(4-methylbenzamido)benzoyl]tryptophan
6.3.2.1 0.0214
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 1-benzoyl-N-(4-nitrophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
6.3.2.1 0.0218
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 1-benzoyl-N-(4-nitrophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide
6.3.2.1 0.02244
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis methyl 6-amino-4-(benzyloxy)-1H-indole-2-carboxylate
6.3.2.1 0.02244
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 4-(2-[3-[(1E,3E)-hexa-1,3,5-trien-1-yl]phenyl]hydrazinyl)-4-oxobutanoic acid
6.3.2.1 0.06564
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis [2-[(E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-1H-benzimidazol-6-yl](phenyl)methanone
6.3.2.1 0.1
-
 pH and temperature not specified in the publication Mycobacterium tuberculosis 1-benzoyl-N-(4-bromophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

General Information

EC Number General Information Comment Organism
6.3.2.1 drug target the enzyme is a target in order to combat both drug-sensitive and drug-resistant strains of Mycobacterium tuberculosis Mycobacterium tuberculosis